gc3pie 2.1

A Python library and simple command-line frontend for computational job submission to multiple resources.

GC3Pie is a suite of Python classes (and command-line tools built upon them) to aid in submitting and controlling batch jobs to clusters and grid resources seamlessly. GC3Pie aims at providing the building blocks by which Python scripts that combine several applications in a dynamic workflow can be quickly developed.

The GC3Pie suite is comprised of three main components:

• GC3Libs: A python package for controlling the life-cycle of a Grid or batch computational job

• GC3Utils: Command-line tools exposing the main functionality provided by GC3Libs

• GC3Apps: Driver scripts to run large job campaigns

GC3Libs

GC3Libs provides services for submitting computational jobs to Grids and batch systems and controlling their execution, persisting job information, and retrieving the final output.

GC3Libs takes an _application-oriented approach to batch computing. A generic Application class provides the basic operations for controlling remote computations, but different Application subclasses can expose adapted interfaces, focusing on the most relevant aspects of the application being represented. Specific interfaces are already provided for the GAMESS and Rosetta suites; new ones can be easily created by subclassing the generic Application class.

GC3Utils

Most of the time users have lots of different accounts on several diverse resources. The idea underlying GC3Utils is that a user can submit and control a computational job from one single place with a few simple commands.

Commands are provided to submit a job (gsub), check its running status (gstat), get a snapshot of the output files (gget, gtail), or cancel it (gkill).

GC3Apps

There is a need in some scientific communities, to run large job campaigns to analyze a vast number of data files with the same application. The single-job level of control implemented by GC3Utils in this case is not enough: you would have to implement “glue scripts” to control hundreds or thousand scripts at once. GC3Pie has provisons for this, in the form of re-usable Python classes that implement a single point of control for job families.

The GC3Apps scripts are driver scripts that run job campaigns using the supported applications on a large set of input data. They can be used in production as-is, or adapted to suit your data processing needs.

Installation instructions and further reading

For up-to-date information, please visit the GC3Pie home page at: http://gc3pie.googlecode.com/

Installation instructions are in the INSTALL.txt file (in this same directory), or can be read online at: http://code.google.com/p/gc3pie/wiki/InstallGC3Pie